SCHEMBL4473034

SCHEMBL4473034

Cc1cc(NCc2ccccc2C(F)(F)F)cc2c1N(C)C[C@@H]1CNC[C@H]21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
UTS2R Q9UKP6 2/20 0.35
P2RX7 Q99572 3/20 0.35
EPHX2 P34913 3/20 0.34
ABL1 P00519 1/20 0.34
SRC P12931 1/20 0.34
CYP2C9 P11712 1/20 0.34
GRK3 P35626 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
GRK2 P25098 1/20 0.33
GRK5 P34947 1/20 0.33
PRKCI P41743 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5955674 1.00 GAA (0.38) GAAUTS2RP2RX7EPHX2ABL1
SCHEMBL13627340 1.00 GAA (0.38) GAAUTS2RP2RX7EPHX2ABL1
SCHEMBL13627345 0.88 UTS2R (0.40) GAAUTS2RP2RX7EPHX2ABL1
SCHEMBL4488827 0.88 UTS2R (0.40) GAAUTS2RP2RX7EPHX2ABL1
SCHEMBL4472375 0.85 HTR2A (0.35) GAAP2RX7HTR2AHTR2CHTR2B
SCHEMBL13627331 0.85 HTR2A (0.35) GAAP2RX7HTR2AHTR2CHTR2B
SCHEMBL4472041 0.85 HTR2A (0.35) GAAP2RX7HTR2AHTR2CHTR2B
SCHEMBL13627337 0.83 CHRNB2 (0.40) GAAHTR2AHTR2C
SCHEMBL4492625 0.83 CHRNB2 (0.40) GAAHTR2AHTR2C
SCHEMBL3130191 0.80 GAA (0.41) GAAUTS2REPHX2CYP2C9C5AR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618980-B2 Pyrrolo(oxo)quinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-17 US disclosed
US-20060014778-A1 (+-)-cis 6-Methoxy-8-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline; serotonin receptor modulators; obesity, diabetes, atherosclerosis, dyslipidemia; central nervous system diseases like anxiety, depression, OCD, panic disorder, psychosis, schizophrenia, sleep and sexual disorders, BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060014778-A1 (+-)-cis 6-Methoxy-8-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline; serotonin receptor modulators; obesity, diabetes, atherosclerosis, dyslipidemia; central nervous system diseases like anxiety, depression, OCD, panic disorder, psychosis, schizophrenia, sleep and sexual disorders, HTR3B, HTR2C, HTR2B GAA 1257/4885UTS2R 1489/4885P2RX7 168/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.